9H-Fluoren-2-yl isocyanate

Base Information

• Chemical Name: 9H-Fluoren-2-yl isocyanate
• CAS No.: 81741-69-7
• Molecular Formula: C14H9NO
• Molecular Weight: 207.232
• Hs Code.: 2929109000
• European Community (EC) Number: 626-741-5
• DSSTox Substance ID: DTXSID50399517
• Mol file: 81741-69-7.mol

Synonyms:9H-Fluoren-2-yl isocyanate;2-isocyanato-9H-fluorene;81741-69-7;2-fluorenyl isocyanate;SCHEMBL672776;DTXSID50399517;HJROCLJFUOYQNP-UHFFFAOYSA-N;9H-Fluoren-2-yl isocyanate 98;9H-Fluoren-2-yl isocyanate, 98%;MFCD01863683;AKOS009156416

Chemical Property of 9H-Fluoren-2-yl isocyanate

Chemical Property:

• Vapor Pressure: 1.71E-05mmHg at 25°C
• Melting Point: 69-71oC(lit.)
• Boiling Point: 364.2oC at 760 mmHg
• Flash Point: 135.6oC
• PSA: 29.43000
• Density: 1.18g/cm3
• LogP: 3.22510
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 207.068413911
• Heavy Atom Count: 16
• Complexity: 308

Purity/Quality:

98%Min ^*data from raw suppliers

9H-Fluoren-2-yl isocyanate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2C3=C1C=C(C=C3)N=C=O

Technology Process of 9H-Fluoren-2-yl isocyanate

There total 2 articles about 9H-Fluoren-2-yl isocyanate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.0%

bis(trichloromethyl) carbonate (32315-10-9) + 2-aminofluorene (153-78-6) → 9H-fluoren-2-yl isocyanate (81741-69-7)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 25h; Cooling with ice;

DOI:10.1021/ma2008018

Reference yield:

phosgene (75-44-5) → 9H-fluoren-2-yl isocyanate (81741-69-7)

Guidance literature:

With toluene;

DOI:10.1021/ja01202a066 DOI:10.1021/ja01278a039

Reference yield: 95.0%

9H-fluoren-2-yl isocyanate (81741-69-7) + diethyl 5-aminoisophthalate (42122-73-6) → 5-[3-(9H-fluoren-2-yl)ureido]isophthalic diethyl ester (1242181-85-6)

Guidance literature:

diethyl 5-aminoisophthalate; With chloro-trimethyl-silane; In N,N-dimethyl acetamide; at 20 ℃;

9H-fluoren-2-yl isocyanate; In N,N-dimethyl acetamide; at 20 ℃; for 24h;

DOI:10.1002/pola.24168

upstream raw materials:

phosgene

bis(trichloromethyl) carbonate

2-aminofluorene

Downstream raw materials:

2-Methoxycarbonylamino-fluoren

2-Aethoxycarbonylamino-fluoren

fluoren-2-yl-urea

N-phenyl-N'-(2-fluorenyl)urea

Refernces